论文标题
4H-SIC（000 $ \ bar {1} $）/sio $ _2 $接口在湿氧化后的理论调查（000 $ \ bar {1} $）的理论调查
Theoretical investigation of vacancy related defects at 4H-SiC(000$\bar{1}$)/SiO$_2$ interface after wet oxidation
论文作者
论文摘要
在4H-SIC（000 $ \ bar {1} $）/siO $ _2 $接口在湿氧化后的稳定性和形成机理与硅和碳空位相关的稳定性和碳空位相关。缺陷的总能量的差异与缺陷齿性的实验结果一致。我们发现，缺陷的产生的特征行为是由空位和反岩在SIC（000 $ \ bar {1} $）底物中的位置解释的，而硅和碳空位的形成与缺陷机制有关。硅和碳空位的产生归因于湿氧化引入的H原子终止悬挂键，从而导致在湿氧化中产生碳 - 抗耐酸 - 碳 - 碳 - 碳 - 碳化和分裂缺陷。
The stability and formation mechanism of the defects relevant to silicon and carbon vacancies at the 4H-SiC(000$\bar{1}$)/SiO$_2$ interface after wet oxidation are investigated by first-principles calculation based on the density functional theory. The difference in the total energy of the defects agrees with the experimental results concerning the dencity of defects. We found that the characteristic behaviors of the generation of defects are explained by the positions of vacancies and antisites in the SiC(000$\bar{1}$) substrate and that the formation of silicon and carbon vacancies is relevant to the generation mechanism of defects. The generation of silicon and carbon vacancies is attributed to the termination of dangling bonds by H atoms introduced by wet oxidation, resulting in generation of carbon-antisite--carbon-vacancy and divacancies defects in wet oxidation.
